5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid

C13H8Cl2N2O3 — CID 144633161

IUPAC5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C13H8Cl2N2O3/c14-8-3-1-6(5-9(8)15)11(16)7-2-4-10(13(19)20)17-12(7)18/h1-5,16H,(H,17,18)(H,19,20)/b16-11+
InChIKeyLKZATBWVAAQNKZ-LFIBNONCSA-N
MW311.12 g/mol
LogP2.80
Rot. Bonds3

About 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid

5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 144633161) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID144633161
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILES[H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)[nH]c1=O
InChIInChI=1S/C13H8Cl2N2O3/c14-8-3-1-6(5-9(8)15)11(16)7-2-4-10(13(19)20)17-12(7)18/h1-5,16H,(H,17,18)(H,19,20)/b16-11+
InChIKeyLKZATBWVAAQNKZ-LFIBNONCSA-N
XLogP2.80
TPSA94.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-[(2,5-dichlorophenyl)methyl]-6-oxo-1H-pyridine-2-carboxylic acid
CID 89647040
5-(4-chlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 125488343
5-[(3,4-dichlorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylic acid
CID 129080124
(E)-2-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]but-2-enoic acid
CID 142633142
ethyl 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylate
CID 144633167
4-(3,4-dichlorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 28799456
5-(4-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
CID 57361769
5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
CID 57361876
6-oxo-5-(2,4,5-trichlorophenyl)-1H-pyridine-2-carboxylic acid
CID 133091397
6-oxo-5-(2,3,4-trichlorophenyl)-1H-pyridine-2-carboxylic acid
CID 133092352
6-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-2-carboxylic acid
CID 133092354
5-(2,3-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133092460

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 144633161) is 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid is [H]/N=C(\c1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is LKZATBWVAAQNKZ-LFIBNONCSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-8-3-1-6(5-9(8)15)11(16)7-2-4-10(13(19)20)17-12(7)18/h1-5,16H,(H,17,18)(H,19,20)/b16-11+.
What are the key properties of 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid?
5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 311.12 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorobenzenecarboximidoyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 144633161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).